N-Nitrobis-(2,2,2-trinitroethyl)amine
- Formula: C4H4N8O14
- Molecular weight: 388.1198
- IUPAC Standard InChI: InChI=1S/C4H4N8O14/c13-6(14)3(7(15)16,8(17)18)1-5(12(25)26)2-4(9(19)20,10(21)22)11(23)24/h1-2H2
- IUPAC Standard InChIKey: LNCKTXOIZCSHMB-UHFFFAOYSA-N
- CAS Registry Number: 19836-28-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 21.42 ± 0.52 | kcal/mol | Ccb | Pepekin, Gafurov, et al., 1973 | Reanalyzed by Cox and Pilcher, 1970, Original value = 21.6 ± 0.8 kcal/mol |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -6.69 ± 0.41 | kcal/mol | Ccb | Kustova, Kirpichev, et al., 1981 | |
| ΔfH°solid | -6.5 | kcal/mol | Ccb | Pepekin, Gafurov, et al., 1973 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -506.09 | kcal/mol | Ccb | Kustova, Kirpichev, et al., 1981 | |
| ΔcH°solid | -506.3 ± 0.68 | kcal/mol | Ccb | Pepekin, Gafurov, et al., 1973 | |
| ΔcH°solid | -486.0 | kcal/mol | Ccb | Young, Keith, et al., 1956 |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 28.1 ± 0.2 | 348. | ME | de Kruif and Oonk, 1973 | Based on data from 340. to 356. K.; AC |
| 28.1 ± 0.2 | 340. | V | Pepekin, Gafurov, et al., 1973 | ALS |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pepekin, Gafurov, et al., 1973
Pepekin, V.I.; Gafurov, R.G.; Lebedev, Yu.A.; Eremenko, L.T.; Sogomonyan, E.M.; Apin, A.Ya.,
Thermochemistry of N-Nitrosoamines,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1973, 304-307. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Kustova, Kirpichev, et al., 1981
Kustova, L.V.; Kirpichev, E.P.; Rubtsov, Yu.I.; Avdonin, V.V.; Korepin, A.G.; Eremenko, L.T.,
Standard enthalpies of formation of certain nitro compounds,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1981, 1830-1836. [all data]
Young, Keith, et al., 1956
Young, J.A.; Keith, J.E.; Stehle, P.; Dzombak, W.C.; Hunt, H.,
Heats of combustion of some organic nitrogen compounds,
Ind. Eng. Chem., 1956, 48, 1375-1378. [all data]
de Kruif and Oonk, 1973
de Kruif, C.G.; Oonk, H.A.J.,
The determination of enthalpies of sublimation by means of thermal conductivity manometers,
Chemie Ing. Techn., 1973, 45, 7, 455-461, https://doi.org/10.1002/cite.330450705
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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